# generated using pymatgen
data_Ba5Ir2I2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90413022
_cell_length_b   5.90413013
_cell_length_c   27.16474518
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Ir2I2O9
_chemical_formula_sum   'Ba10 Ir4 I4 O18'
_cell_volume   820.06464752
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.33333300  0.66666700  0.90546588  1.0
  Ba  Ba1  1  0.66666700  0.33333300  0.40546588  1.0
  Ba  Ba2  1  0.66666700  0.33333300  0.09453412  1.0
  Ba  Ba3  1  0.33333300  0.66666700  0.17525582  1.0
  Ba  Ba4  1  0.66666700  0.33333300  0.67525582  1.0
  Ba  Ba5  1  0.33333300  0.66666700  0.32474418  1.0
  Ba  Ba6  1  0.66666700  0.33333300  0.82474418  1.0
  Ba  Ba7  1  0.66666700  0.33333300  0.25000000  1.0
  Ba  Ba8  1  0.33333300  0.66666700  0.59453412  1.0
  Ba  Ba9  1  0.33333300  0.66666700  0.75000000  1.0
  Ir  Ir10  1  0.00000000  0.00000000  0.79985330  1.0
  Ir  Ir11  1  0.00000000  0.00000000  0.29985330  1.0
  Ir  Ir12  1  0.00000000  0.00000000  0.70014670  1.0
  Ir  Ir13  1  0.00000000  0.00000000  0.20014670  1.0
  I  I14  1  0.33333300  0.66666700  0.45402901  1.0
  I  I15  1  0.33333300  0.66666700  0.04597099  1.0
  I  I16  1  0.66666700  0.33333300  0.54597099  1.0
  I  I17  1  0.66666700  0.33333300  0.95402901  1.0
  O  O18  1  0.15958374  0.84041626  0.66285659  1.0
  O  O19  1  0.68083352  0.84041626  0.83714341  1.0
  O  O20  1  0.15958374  0.31916648  0.66285659  1.0
  O  O21  1  0.84606582  0.15393418  0.75000000  1.0
  O  O22  1  0.30786736  0.15393418  0.75000000  1.0
  O  O23  1  0.15393418  0.30786736  0.25000000  1.0
  O  O24  1  0.15393418  0.84606582  0.25000000  1.0
  O  O25  1  0.69213264  0.84606582  0.25000000  1.0
  O  O26  1  0.84041626  0.15958374  0.33714341  1.0
  O  O27  1  0.31916648  0.15958374  0.16285659  1.0
  O  O28  1  0.84606582  0.69213264  0.75000000  1.0
  O  O29  1  0.84041626  0.68083352  0.16285659  1.0
  O  O30  1  0.31916648  0.15958374  0.33714341  1.0
  O  O31  1  0.84041626  0.15958374  0.16285659  1.0
  O  O32  1  0.15958374  0.31916648  0.83714341  1.0
  O  O33  1  0.84041626  0.68083352  0.33714341  1.0
  O  O34  1  0.68083352  0.84041626  0.66285659  1.0
  O  O35  1  0.15958374  0.84041626  0.83714341  1.0